General Information of the Compound
| Compound ID |
CP0197388
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| Compound Name |
(E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-[(3-methoxyphenyl)methyl]-3a-methyl-2-oxo-3,4,5,6-tetrahydroindol-7-yl]prop-2-enamide
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| Structure |
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| Formula |
C24H24Cl2N2O5S2
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| Molecular Weight |
555.505
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| Canonical SMILES |
COc1cccc(CN2C(=O)CC3(C)CCCC(\C=C\C(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)=C23)c1
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| InChI |
InChI=1S/C24H24Cl2N2O5S2/c1-24-10-4-6-16(8-9-19(29)27-35(31,32)21-12-18(25)23(26)34-21)22(24)28(20(30)13-24)14-15-5-3-7-17(11-15)33-2/h3,5,7-9,11-12H,4,6,10,13-14H2,1-2H3,(H,27,29)/b9-8+
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| InChIKey |
OIDRWTDKINPYNQ-CMDGGOBGSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound